(4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one

C15H22O3 — CID 162879213

IUPAC(4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1C[C@@H]1[C@@H](C(=C)C)CC[C@]1(C)O
InChIInChI=1S/C15H22O3/c1-9(2)12-5-6-15(4,17)13(12)7-11-8-18-14(16)10(11)3/h11-13,17H,1,3,5-8H2,2,4H3/t11-,12+,13+,15-/m0/s1
InChIKeyWWRKMHCPLLVBOP-JLNYLFASSA-N
MW250.34 g/mol
LogP2.46
Rot. Bonds3

About (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one

(4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one (PubChem CID 162879213) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one
PubChem CID162879213
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one
SMILESC=C1C(=O)OC[C@@H]1C[C@@H]1[C@@H](C(=C)C)CC[C@]1(C)O
InChIInChI=1S/C15H22O3/c1-9(2)12-5-6-15(4,17)13(12)7-11-8-18-14(16)10(11)3/h11-13,17H,1,3,5-8H2,2,4H3/t11-,12+,13+,15-/m0/s1
InChIKeyWWRKMHCPLLVBOP-JLNYLFASSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one?
The IUPAC name of (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one (CID 162879213) is (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one.
What is the SMILES notation for (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one?
The canonical SMILES for (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one is C=C1C(=O)OC[C@@H]1C[C@@H]1[C@@H](C(=C)C)CC[C@]1(C)O.
What is the InChIKey of (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one?
The InChIKey is WWRKMHCPLLVBOP-JLNYLFASSA-N. The full InChI is InChI=1S/C15H22O3/c1-9(2)12-5-6-15(4,17)13(12)7-11-8-18-14(16)10(11)3/h11-13,17H,1,3,5-8H2,2,4H3/t11-,12+,13+,15-/m0/s1.
What are the key properties of (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one?
(4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-3-methylideneoxolan-2-one is sourced from PubChem (CID 162879213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).